(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
TL;DR: (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide (CAS 329693-11-0) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
Also Known As: (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide, (2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enethioamide, (E)-2-Cyano-3-(1-methyl-1H-pyrrol-2-yl)-thioacrylamide, (E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enethioamide
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 329693-11-0 |
|---|---|
| SMILES | CN1C=CC=C1/C=C(\C#N)/C(=S)N |
| InChIKey | JONKKSIPODCYGA-FNORWQNLSA-N |
Product Overview
(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide (CAS 329693-11-0), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide.
Chemical Property Profile of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
Property Insights of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide is 329693-11-0.
What is the molecular formula of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide is C9H9N3S.
What is the molecular weight of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide is 191.05 g/mol.
Where can I buy (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.